Geometry & MOs

Info

ID:	253465
PubChem CID:	103118627
Reduced:	ClO2N6C11H15 (1)
Stoich.:	AB2C6D11E15 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	2.15
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(oxan-4-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CN=C1CN2C(=C(N=N2)C(=O)OC)CCN)Cl

DOS

IR

Vibrations